CID 141309376

C20H19Se — CID 141309376

IUPAC—
SMILESCc1ccc([Se](c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H19Se/c1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20/h3-15H,1-2H3
InChIKeyBODVPJQZAAKIRY-UHFFFAOYSA-N
MW338.33 g/mol
LogP2.82
Rot. Bonds3

About CID 141309376

CID 141309376 (PubChem CID 141309376) has the molecular formula C20H19Se and a molecular weight of 338.33 g/mol.

Molecular Properties

Compound NameCID 141309376
PubChem CID141309376
Molecular FormulaC20H19Se
Molecular Weight338.33 g/mol
Exact Mass339.07
IUPAC Name—
SMILESCc1ccc([Se](c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H19Se/c1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20/h3-15H,1-2H3
InChIKeyBODVPJQZAAKIRY-UHFFFAOYSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 141309376?
The IUPAC name of CID 141309376 (CID 141309376) is not available.
What is the SMILES notation for CID 141309376?
The canonical SMILES for CID 141309376 is Cc1ccc([Se](c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of CID 141309376?
The InChIKey is BODVPJQZAAKIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Se/c1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20/h3-15H,1-2H3.
What are the key properties of CID 141309376?
CID 141309376 has a molecular weight of 338.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 141309376 is sourced from PubChem (CID 141309376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).